[gmx-users] Hessian matrix conversion
zhoumadison at gmail.com
Mon May 15 22:02:48 CEST 2006
I am trying to convert the binary Hessian matrix (nm.mtx) into a readable
ascii format. According to the recommendations on this email list, I rename
the nm.mtx to nm.trr and tried to use gmxdump. However, there is an error
message liketrn version:
Program gmxdump, VERSION 3.3.1
Source code file: trnio.c, line: 69
Float size 401. Maybe different CPU?
I am using gromacs 3.3.1. Also I am wondering there is any new update on the
extration of C-alpha modes based on the all-atom Hessian matrix? Thanks for
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users